SCHEMBL4904742

SCHEMBL4904742

COC(=O)c1cc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)cnc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TOP2A P11388 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
MTOR P42345 2/20 0.40
FGFR3 P22607 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE11A Q9HCR9 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4909244 0.91 TOP2A (0.48) MAPTTOP2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4910399 0.83 CD274 (0.42) KDM4EALDH1A1
SCHEMBL4907263 0.83 IKBKE (0.44) MAPTTOP2AKDM4ESMN1; SMN2MEN1
SCHEMBL4906966 0.81 IKBKE (0.42) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4909354 0.80 CHRNA7 (0.42) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4907603 0.77 IKBKE (0.39) MAPTTOP2AKDM4ESMN1; SMN2MEN1
SCHEMBL4908310 0.77 NR3C1 (0.42) TOP2ASMN1; SMN2
SCHEMBL4907614 0.76 TOP2A (0.42) TOP2A
SCHEMBL4900067 0.75 DAO (0.44) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4901768 0.75 DAO (0.46) TOP2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 US claimed
EP-1861393-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS AstraZeneca AB (SE) 2007-12-05 EP claimed
WO-2006092599-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-09-08 WO claimed
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 US disclosed
EP-1861393-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006092599-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-09-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B MAPT 2515/4885TOP2A 2/4885KDM4E 1366/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.